#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwq s GLY -1 N 0.00 1.11 0.42 -0.02 0.00 -1.26 -4.85 107.32 102.72 2uwq s GLY -1 Ca 0.00 1.01 0.11 0.00 0.00 0.00 0.00 44.72 45.84 2uwq s GLY -1 CO 0.00 3.50 1.98 1.76 0.00 0.00 0.00 173.10 180.34 2uwq h SER 0 N 12.06 0.17 -3.38 1.64 0.02 -2.08 -3.37 113.55 118.60 2uwq h SER 0 Ca -0.44 -0.03 -0.72 0.00 -0.84 0.00 0.00 61.79 59.77 2uwq h SER 0 Cb 1.22 -0.04 -0.30 0.00 0.14 0.00 0.00 62.40 63.42 2uwq h SER 0 CO 0.96 0.28 -0.45 -0.32 -1.14 0.00 0.00 176.83 176.16 2uwq s MET 1 N -4.82 2.40 0.52 3.45 -2.45 -1.26 -4.98 119.30 112.15 2uwq s MET 1 Ca -0.05 -1.71 0.00 0.00 -1.25 0.00 0.00 55.69 52.68 2uwq s MET 1 Cb 0.16 -3.81 0.00 0.00 1.25 0.00 0.00 34.83 32.43 2uwq s MET 1 CO 0.72 -1.11 0.00 -1.33 1.05 0.00 0.00 175.02 174.35 2uwq n MET 2 N 4.84 -3.84 0.00 4.11 2.00 -1.26 -4.98 117.12 117.98 2uwq n MET 2 Ca -0.07 2.94 0.00 0.00 0.00 0.00 0.00 57.70 60.57 2uwq n MET 2 Cb 0.41 -3.57 0.00 0.00 0.00 0.00 0.00 33.22 30.07 2uwq n MET 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2uwq n PRO 3 N -2.03 -0.04 -2.27 0.03 -0.04 -1.26 -4.61 135.00 124.77 2uwq n PRO 3 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2uwq n PRO 3 Cb 0.31 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.76 2uwq n PRO 3 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2uwq n MET 4 N -0.84 0.47 -3.68 0.54 2.81 -1.26 -4.99 117.12 110.17 2uwq n MET 4 Ca 0.00 -0.40 -0.11 0.00 -1.81 0.00 0.00 57.70 55.38 2uwq n MET 4 Cb 0.00 0.27 -0.06 0.00 -0.71 0.00 0.00 33.22 32.72 2uwq n MET 4 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2uwq s PHE 5 N -1.94 -0.19 -0.00 2.03 -0.71 -1.26 -2.08 117.98 113.84 2uwq s PHE 5 Ca 0.04 0.01 0.08 0.00 -1.04 0.00 0.00 56.93 56.01 2uwq s PHE 5 Cb 0.00 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2uwq s PHE 5 CO 0.03 -0.60 -0.24 -0.48 -1.34 0.00 0.00 175.22 172.58 2uwq s LEU 6 N -2.34 2.08 -0.42 -1.99 0.05 -0.64 -4.91 118.68 110.50 2uwq s LEU 6 Ca -0.02 -0.47 -0.16 0.00 0.05 0.00 0.00 54.13 53.54 2uwq s LEU 6 Cb 0.01 -1.22 0.03 0.00 -2.05 0.00 0.00 46.19 42.95 2uwq s LEU 6 CO -0.06 0.28 0.37 -0.89 -0.55 0.00 0.00 176.35 175.49 2uwq s THR 7 N -0.62 5.18 0.40 5.48 2.01 -1.26 -1.40 115.64 125.43 2uwq s THR 7 Ca 0.09 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 2uwq s THR 7 Cb -0.09 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2uwq s THR 7 CO -0.00 -0.39 0.66 -0.69 -0.69 0.00 0.00 174.62 173.51 2uwq s VAL 8 N 1.89 5.00 -0.12 3.82 1.01 0.73 -1.24 120.40 131.48 2uwq s VAL 8 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2uwq s VAL 8 Cb -0.19 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2uwq s VAL 8 CO 0.11 -0.66 -0.10 -0.31 0.00 0.00 0.00 175.10 174.14 2uwq s TYR 9 N -2.48 2.87 -0.11 5.22 1.51 0.31 0.21 117.35 124.88 2uwq s TYR 9 Ca 0.44 -0.44 -0.13 0.00 -1.01 0.00 0.00 57.07 55.93 2uwq s TYR 9 Cb -0.10 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 2uwq s TYR 9 CO 0.39 -0.08 0.31 -0.51 -1.11 0.00 0.00 175.55 174.55 2uwq s LEU 10 N 0.15 4.33 0.00 -1.29 1.02 -0.51 -1.96 118.68 120.41 2uwq s LEU 10 Ca -0.05 0.63 0.00 0.00 0.02 0.00 0.00 54.13 54.73 2uwq s LEU 10 Cb -0.15 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.67 2uwq s LEU 10 CO 0.04 0.20 0.00 -1.20 0.02 0.00 0.00 176.35 175.41 2uwq n SER 11 N 2.87 0.00 -4.57 2.29 7.64 -1.26 -3.73 113.62 116.86 2uwq n SER 11 Ca -0.13 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.50 2uwq n SER 11 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 2uwq n SER 11 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2uwq s ASN 12 N -3.68 4.83 -0.25 6.43 3.04 -1.26 -4.90 114.94 119.15 2uwq s ASN 12 Ca 0.00 -0.84 -0.29 0.00 0.04 0.00 0.00 52.86 51.78 2uwq s ASN 12 Cb 0.00 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 37.11 2uwq s ASN 12 CO 0.00 -3.11 1.81 0.54 -3.04 0.00 0.00 177.10 173.30 2uwq s ASN 13 N 8.08 6.02 0.00 -4.21 4.22 -1.24 -4.00 114.94 123.81 2uwq s ASN 13 Ca 0.73 1.58 0.00 0.00 -2.14 0.00 0.00 52.86 53.03 2uwq s ASN 13 Cb -0.06 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 39.94 2uwq s ASN 13 CO 0.05 -1.56 0.00 1.21 -2.04 0.00 0.00 177.10 174.76 2uwq n GLU 14 N 8.18 0.00 0.00 3.55 2.13 -1.26 -4.96 120.64 128.28 2uwq n GLU 14 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 2uwq n GLU 14 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 2uwq n GLU 14 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2uwq n GLN 15 N -2.07 0.80 -3.63 5.31 -0.06 -1.26 -5.03 117.38 111.44 2uwq n GLN 15 Ca 0.00 -0.01 -0.37 0.00 -2.00 0.00 0.00 57.00 54.61 2uwq n GLN 15 Cb 0.00 -0.17 -0.11 0.00 -4.06 0.00 0.00 30.24 25.90 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2uwq s HIS 16 N -0.12 3.22 0.07 3.69 2.46 -1.26 -5.05 115.29 118.31 2uwq s HIS 16 Ca 0.00 0.08 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 2uwq s HIS 16 Cb 0.00 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 2uwq s HIS 16 CO 0.00 -0.13 0.11 -0.59 -2.47 0.00 0.00 174.74 171.65 2uwq s PHE 17 N 1.59 0.29 -0.14 3.88 -0.71 -1.26 -1.42 117.98 120.21 2uwq s PHE 17 Ca 0.07 -0.76 -0.02 0.00 -1.04 0.00 0.00 56.93 55.18 2uwq s PHE 17 Cb -0.15 -0.18 0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2uwq s PHE 17 CO 0.09 -0.48 0.02 -0.08 -1.34 0.00 0.00 175.22 173.43 2uwq s THR 18 N -3.86 0.47 0.22 -4.49 -1.32 0.57 -4.85 115.64 102.39 2uwq s THR 18 Ca 0.06 -0.26 -0.05 0.00 -1.21 0.00 0.00 61.69 60.23 2uwq s THR 18 Cb 0.06 -0.82 -0.06 0.00 -1.51 0.00 0.00 72.50 70.18 2uwq s THR 18 CO -0.11 0.01 0.48 -1.83 -2.21 0.00 0.00 174.62 170.96 2uwq s GLU 19 N 1.90 3.65 -0.20 7.08 1.03 -1.26 -0.20 118.70 130.71 2uwq s GLU 19 Ca 0.02 -0.02 -0.15 0.00 0.03 0.00 0.00 54.97 54.85 2uwq s GLU 19 Cb -0.15 -2.73 0.06 0.00 -0.80 0.00 0.00 34.13 30.51 2uwq s GLU 19 CO -0.07 0.33 0.50 0.14 -1.33 0.00 0.00 175.26 174.83 2uwq s VAL 20 N -1.88 -0.01 -0.40 1.83 -7.23 -0.49 -4.95 120.40 107.28 2uwq s VAL 20 Ca 0.43 0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 60.39 2uwq s VAL 20 Cb -0.11 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.13 2uwq s VAL 20 CO 0.27 0.01 0.82 -2.16 -0.31 0.00 0.00 175.10 173.73 2uwq s PRO 21 N 0.83 3.66 0.17 4.82 0.04 -1.26 -1.62 135.00 141.63 2uwq s PRO 21 Ca -0.05 0.23 0.11 0.00 0.04 0.00 0.00 61.00 61.33 2uwq s PRO 21 Cb -0.05 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2uwq s PRO 21 CO -0.07 -0.97 -0.24 0.54 0.04 0.00 0.00 177.00 176.30 2uwq s VAL 22 N 3.28 2.23 0.41 -0.36 0.11 -0.88 -4.97 120.40 120.21 2uwq s VAL 22 Ca 0.33 -1.91 0.08 0.00 -2.93 0.00 0.00 61.98 57.55 2uwq s VAL 22 Cb -0.12 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.70 2uwq s VAL 22 CO 0.20 -0.07 0.45 0.42 -3.33 0.00 0.00 175.10 172.76 2uwq s THR 23 N -1.48 2.89 -1.99 5.04 -4.23 -1.26 -4.09 115.64 110.51 2uwq s THR 23 Ca 0.17 -1.21 0.08 0.00 -1.18 0.00 0.00 61.69 59.56 2uwq s THR 23 Cb -0.08 -3.03 0.22 0.00 1.34 0.00 0.00 72.50 70.95 2uwq s THR 23 CO 0.08 -0.02 0.93 -2.65 -0.54 0.00 0.00 174.62 172.42 2uwq n PRO 24 N -1.65 0.25 -0.06 3.99 -0.02 -1.26 -2.75 135.00 133.49 2uwq n PRO 24 Ca 0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.47 2uwq n PRO 24 Cb 0.60 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.54 2uwq n PRO 24 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2uwq h GLU 25 N 0.00 0.00 -6.75 -0.52 4.39 -2.01 -3.46 114.58 106.23 2uwq h GLU 25 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2uwq h GLU 25 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2uwq h GLU 25 CO 0.00 0.35 0.18 0.95 -1.16 0.00 0.00 179.01 179.33 2uwq s THR 26 N -1.85 4.52 -0.03 1.13 -4.23 -1.11 -5.06 115.64 109.01 2uwq s THR 26 Ca -0.08 1.29 -0.00 0.00 -1.18 0.00 0.00 61.69 61.71 2uwq s THR 26 Cb -0.00 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 70.11 2uwq s THR 26 CO 0.26 -0.02 0.02 0.27 -0.54 0.00 0.00 174.62 174.61 2uwq s ILE 27 N -1.80 0.04 0.00 2.99 -0.00 -1.26 -4.17 121.20 117.00 2uwq s ILE 27 Ca 0.51 0.19 0.00 0.00 -0.00 0.00 0.00 60.65 61.35 2uwq s ILE 27 Cb -0.14 -0.18 0.00 0.00 -0.00 0.00 0.00 42.46 42.15 2uwq s ILE 27 CO 0.19 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.26 2uwq h ARG 29 N 0.00 0.26 -0.02 0.00 2.43 -1.90 -2.21 114.38 112.93 2uwq h ARG 29 Ca 0.00 -0.45 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 2uwq h ARG 29 Cb 0.29 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2uwq h ARG 29 CO 0.00 1.21 -0.55 -0.44 -1.51 0.00 0.00 179.97 178.68 2uwq h ASP 30 N -0.31 0.08 0.18 -3.80 3.45 -1.97 0.31 116.42 114.36 2uwq h ASP 30 Ca -0.27 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.14 2uwq h ASP 30 Cb 1.74 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.49 2uwq h ASP 30 CO 0.08 0.61 -0.09 0.58 -1.57 0.00 0.00 179.24 178.86 2uwq h VAL 31 N 0.06 0.93 -0.16 -1.35 2.07 -1.91 -1.78 116.25 114.10 2uwq h VAL 31 Ca -0.00 -0.68 -0.21 0.00 0.82 0.00 0.00 66.70 66.62 2uwq h VAL 31 Cb 0.99 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2uwq h VAL 31 CO 0.08 0.15 -0.72 0.58 0.02 0.00 0.00 177.57 177.68 2uwq h VAL 32 N -0.59 1.29 -0.58 2.57 2.07 -1.38 -1.75 116.25 117.88 2uwq h VAL 32 Ca -0.03 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.61 2uwq h VAL 32 Cb 0.44 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2uwq h VAL 32 CO 0.04 0.61 0.34 0.44 0.02 0.00 0.00 177.57 179.02 2uwq h ASP 33 N 0.50 0.54 0.56 0.57 3.45 -0.45 0.81 116.42 122.41 2uwq h ASP 33 Ca -0.04 0.01 -0.27 0.00 0.43 0.00 0.00 57.03 57.16 2uwq h ASP 33 Cb 1.35 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 40.02 2uwq h ASP 33 CO 0.15 0.38 -1.20 -0.07 -1.57 0.00 0.00 179.24 176.92 2uwq h LEU 34 N 0.67 0.47 -3.93 1.55 3.38 -1.37 -3.28 115.31 112.79 2uwq h LEU 34 Ca 0.24 -0.48 -0.52 0.00 0.09 0.00 0.00 57.88 57.21 2uwq h LEU 34 Cb 0.05 -0.15 -0.30 0.00 0.09 0.00 0.00 40.66 40.36 2uwq h LEU 34 CO -0.12 1.35 0.66 0.00 0.09 0.00 0.00 178.44 180.43 2uwq s LYS 36 N -3.23 3.72 0.34 0.00 -0.14 0.26 -4.80 119.74 115.88 2uwq s LYS 36 Ca 0.56 0.11 0.07 0.00 -1.36 0.00 0.00 55.97 55.34 2uwq s LYS 36 Cb 0.47 -2.79 -0.07 0.00 -1.68 0.00 0.00 37.83 33.76 2uwq s LYS 36 CO 0.09 0.42 -0.03 -1.21 -0.76 0.00 0.00 175.35 173.86 2uwq s GLU 37 N -2.61 1.75 -0.97 1.68 2.02 -1.26 -5.03 118.70 114.27 2uwq s GLU 37 Ca 0.42 -1.93 -0.26 0.00 0.02 0.00 0.00 54.97 53.23 2uwq s GLU 37 Cb -0.12 -1.38 -0.21 0.00 0.10 0.00 0.00 34.13 32.52 2uwq s GLU 37 CO 0.22 0.01 2.17 -0.35 0.02 0.00 0.00 175.26 177.33 2uwq n PRO 38 N -0.76 0.22 0.00 0.39 -0.04 -1.26 -3.49 135.00 130.06 2uwq n PRO 38 Ca -0.05 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 2uwq n PRO 38 Cb 0.65 -3.76 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 2uwq n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2uwq n GLY 39 N 6.27 -0.30 3.55 0.55 0.00 -1.26 -5.08 105.19 108.93 2uwq n GLY 39 Ca 0.42 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2uwq n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uwq s GLU 40 N 0.00 2.35 -0.30 1.61 2.12 -1.23 -4.89 118.70 118.36 2uwq s GLU 40 Ca 0.00 0.64 -0.03 0.00 0.36 0.00 0.00 54.97 55.94 2uwq s GLU 40 Cb 0.00 -4.62 0.10 0.00 0.26 0.00 0.00 34.13 29.88 2uwq s GLU 40 CO 0.00 -3.21 0.12 0.45 -0.54 0.00 0.00 175.26 172.08 2uwq s SER 41 N 9.52 3.71 -0.09 -1.70 0.15 -1.26 -5.01 113.70 119.01 2uwq s SER 41 Ca 0.79 -1.43 -0.07 0.00 0.70 0.00 0.00 55.95 55.95 2uwq s SER 41 Cb -0.13 -0.54 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2uwq s SER 41 CO 0.17 -0.43 0.13 0.47 1.20 0.00 0.00 173.24 174.78 2uwq n ASP 42 N 5.09 -3.59 -3.85 5.45 8.00 -1.26 -4.77 116.55 121.62 2uwq n ASP 42 Ca -0.04 1.30 -0.12 0.00 0.71 0.00 0.00 54.79 56.64 2uwq n ASP 42 Cb 0.42 -3.99 -0.10 0.00 -0.02 0.00 0.00 41.12 37.43 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uwq s HIS 44 N -1.23 0.89 0.03 0.00 -3.43 -1.19 -4.72 115.29 105.64 2uwq s HIS 44 Ca -0.13 -0.82 -0.01 0.00 -0.80 0.00 0.00 55.06 53.30 2uwq s HIS 44 Cb -0.07 -0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 30.53 2uwq s HIS 44 CO 0.02 -0.12 0.20 -1.17 -2.00 0.00 0.00 174.74 171.67 2uwq s LEU 45 N -2.78 4.36 0.16 5.38 2.96 -0.07 -1.70 118.68 126.99 2uwq s LEU 45 Ca 0.08 0.30 0.08 0.00 -0.22 0.00 0.00 54.13 54.37 2uwq s LEU 45 Cb 0.02 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 2uwq s LEU 45 CO -0.03 0.20 -0.10 0.00 -1.32 0.00 0.00 176.35 175.11 2uwq s ALA 46 N -1.44 2.94 -0.20 5.97 0.00 0.86 0.51 121.76 130.40 2uwq s ALA 46 Ca 0.32 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 2uwq s ALA 46 Cb -0.13 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.27 2uwq s ALA 46 CO 0.24 0.51 -0.02 -1.83 0.00 0.00 0.00 175.76 174.66 2uwq s GLU 47 N -2.68 1.25 -0.11 0.00 -1.05 -0.02 -1.85 118.70 114.24 2uwq s GLU 47 Ca 0.24 -0.67 0.02 0.00 -0.15 0.00 0.00 54.97 54.40 2uwq s GLU 47 Cb -0.09 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.34 2uwq s GLU 47 CO 0.15 -0.57 -0.16 0.08 0.95 0.00 0.00 175.26 175.71 2uwq s VAL 48 N 1.61 1.59 -0.11 1.83 1.01 -0.82 0.33 120.40 125.84 2uwq s VAL 48 Ca -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2uwq s VAL 48 Cb -0.17 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.82 2uwq s VAL 48 CO -0.07 0.46 0.23 0.86 0.00 0.00 0.00 175.10 176.58 2uwq s TRP 49 N 0.93 -0.34 -1.61 5.22 -0.00 0.17 -0.98 118.94 122.33 2uwq s TRP 49 Ca -0.07 0.83 -0.11 0.00 -0.00 0.00 0.00 56.10 56.75 2uwq s TRP 49 Cb -0.15 -0.07 0.10 0.00 -0.00 0.00 0.00 33.47 33.34 2uwq s TRP 49 CO -0.01 -0.30 0.56 0.00 -0.00 0.00 0.00 176.95 177.19 2uwq n GLY 51 N -1.71 1.51 3.42 0.00 0.00 -1.26 -4.99 105.19 102.16 2uwq n GLY 51 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2uwq n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uwq s SER 52 N -3.02 6.38 -0.14 1.61 0.15 0.28 -5.01 113.70 113.95 2uwq s SER 52 Ca 0.00 -1.60 -0.03 0.00 0.70 0.00 0.00 55.95 55.02 2uwq s SER 52 Cb 0.00 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2uwq s SER 52 CO 0.00 -1.16 -0.03 -1.83 1.20 0.00 0.00 173.24 171.42 2uwq s GLU 53 N 2.94 3.48 0.03 5.44 1.03 -1.26 0.42 118.70 130.78 2uwq s GLU 53 Ca 0.23 -0.50 -0.10 0.00 0.03 0.00 0.00 54.97 54.63 2uwq s GLU 53 Cb -0.14 -2.87 0.01 0.00 -0.80 0.00 0.00 34.13 30.32 2uwq s GLU 53 CO 0.01 0.36 0.21 1.03 -1.33 0.00 0.00 175.26 175.55 2uwq s ARG 54 N 0.03 0.66 -0.20 -4.83 1.81 0.15 -4.96 118.95 111.62 2uwq s ARG 54 Ca 0.01 -0.51 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 2uwq s ARG 54 Cb -0.13 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.65 2uwq s ARG 54 CO 0.03 -0.19 1.02 -1.25 -0.68 0.00 0.00 175.30 174.23 2uwq s PRO 55 N -2.16 4.30 -0.18 3.54 0.04 -1.26 -0.84 135.00 138.44 2uwq s PRO 55 Ca -0.08 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 2uwq s PRO 55 Cb -0.03 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 2uwq s PRO 55 CO -0.02 -0.54 0.01 0.54 0.04 0.00 0.00 177.00 177.03 2uwq s VAL 56 N 2.86 4.19 0.49 -0.36 0.11 0.18 -4.91 120.40 122.95 2uwq s VAL 56 Ca 0.45 -0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 59.07 2uwq s VAL 56 Cb -0.16 -2.88 -0.09 0.00 -1.53 0.00 0.00 36.38 31.73 2uwq s VAL 56 CO 0.09 0.46 0.99 0.00 -3.33 0.00 0.00 175.10 173.30 2uwq s ALA 57 N 0.61 3.00 -0.50 1.54 0.00 -1.26 -0.89 121.76 124.26 2uwq s ALA 57 Ca -0.00 0.34 0.17 0.00 0.00 0.00 0.00 51.96 52.47 2uwq s ALA 57 Cb -0.14 -3.16 0.85 0.00 0.00 0.00 0.00 23.12 20.67 2uwq s ALA 57 CO 0.02 -0.16 1.53 -0.25 0.00 0.00 0.00 175.76 176.90 2uwq n ASP 58 N -1.19 0.43 -1.78 0.00 10.43 -1.26 -1.35 116.55 121.83 2uwq n ASP 58 Ca 0.07 0.66 0.07 0.00 2.57 0.00 0.00 54.79 58.16 2uwq n ASP 58 Cb 0.54 -0.73 0.38 0.00 1.84 0.00 0.00 41.12 43.14 2uwq n ASP 58 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2uwq n ASN 59 N -2.04 5.36 -4.69 -2.24 4.13 -1.26 -3.23 115.26 111.29 2uwq n ASN 59 Ca 0.00 -2.83 -0.41 0.00 1.68 0.00 0.00 54.58 53.02 2uwq n ASN 59 Cb 0.09 -0.67 -0.04 0.00 -1.54 0.00 0.00 39.78 37.62 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2uwq s GLU 60 N -2.58 4.37 0.05 3.52 0.41 -0.46 -4.92 118.70 119.09 2uwq s GLU 60 Ca 0.51 1.00 -0.31 0.00 -0.41 0.00 0.00 54.97 55.76 2uwq s GLU 60 Cb 0.38 -3.52 -0.06 0.00 -1.78 0.00 0.00 34.13 29.16 2uwq s GLU 60 CO 0.15 -0.16 1.24 1.03 -0.49 0.00 0.00 175.26 177.04 2uwq s ARG 61 N 1.54 4.40 0.00 1.61 0.52 -1.26 -3.05 118.95 122.71 2uwq s ARG 61 Ca 0.39 1.82 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 2uwq s ARG 61 Cb -0.17 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2uwq s ARG 61 CO 0.16 -0.33 0.02 -0.12 0.02 0.00 0.00 175.30 175.05 2uwq n MET 62 N 4.18 0.00 -0.33 3.54 0.00 -1.26 0.72 117.12 123.98 2uwq n MET 62 Ca 0.10 0.02 0.20 0.00 -0.00 0.00 0.00 57.70 58.02 2uwq n MET 62 Cb 0.46 -0.19 0.46 0.00 0.00 0.00 0.00 33.22 33.95 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 2uwq h PHE 63 N 0.00 0.78 -0.84 1.12 0.04 -1.90 -1.31 116.94 114.83 2uwq h PHE 63 Ca 0.00 0.03 0.21 0.00 2.80 0.00 0.00 57.97 61.01 2uwq h PHE 63 Cb 0.00 -0.23 -0.15 0.00 2.20 0.00 0.00 35.95 37.78 2uwq h PHE 63 CO 0.00 0.09 0.08 0.22 -0.60 0.00 0.00 178.31 178.10 2uwq h ASP 64 N 0.49 -0.28 0.75 2.17 1.82 -0.08 0.63 116.42 121.92 2uwq h ASP 64 Ca 0.59 0.21 -0.23 0.00 -0.39 0.00 0.00 57.03 57.21 2uwq h ASP 64 Cb 1.33 0.35 -0.01 0.00 0.68 0.00 0.00 39.33 41.69 2uwq h ASP 64 CO -0.34 -0.21 -1.08 -0.37 -1.61 0.00 0.00 179.24 175.64 2uwq h VAL 65 N 0.12 1.58 0.00 2.25 -1.51 -0.05 -3.15 116.25 115.49 2uwq h VAL 65 Ca 0.49 -3.09 0.00 0.00 -1.23 0.00 0.00 66.70 62.87 2uwq h VAL 65 Cb 0.94 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 2uwq h VAL 65 CO -0.72 0.90 0.00 0.18 -1.23 0.00 0.00 177.57 176.70 2uwq n LEU 66 N -3.50 0.19 0.11 4.19 4.32 0.17 -1.85 117.00 120.64 2uwq n LEU 66 Ca -0.04 0.55 0.12 0.00 -0.02 0.00 0.00 56.01 56.62 2uwq n LEU 66 Cb 0.95 -0.54 0.05 0.00 -1.62 0.00 0.00 43.42 42.26 2uwq n LEU 66 CO 0.50 -0.40 0.16 -0.61 -1.22 0.00 0.00 177.39 175.82 2uwq h GLN 67 N 0.00 0.00 0.00 3.23 4.15 -0.19 -3.34 115.11 118.96 2uwq h GLN 67 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 2uwq h GLN 67 Cb 0.23 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 2uwq h GLN 67 CO 0.00 0.00 -1.04 0.07 -1.93 0.00 0.00 178.83 175.93 2uwq h ARG 68 N 0.00 0.00 0.00 1.69 0.11 -1.49 -3.25 114.38 111.45 2uwq h ARG 68 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2uwq h ARG 68 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2uwq h ARG 68 CO 0.00 0.60 0.00 1.19 0.10 0.00 0.00 179.97 181.86 2uwq n PHE 69 N -3.16 0.45 -0.25 4.08 3.72 -1.22 -4.97 117.46 116.12 2uwq n PHE 69 Ca -0.04 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2uwq n PHE 69 Cb 0.87 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2uwq n PHE 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uwq n GLY 70 N -0.70 1.00 1.82 1.37 0.00 -1.23 -4.25 105.19 103.20 2uwq n GLY 70 Ca 0.01 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 2uwq n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uwq n SER 71 N 0.24 3.74 -2.64 1.61 3.41 -1.26 -4.09 113.62 114.63 2uwq n SER 71 Ca 0.00 -3.07 -0.07 0.00 -0.26 0.00 0.00 58.87 55.47 2uwq n SER 71 Cb 0.00 -0.74 0.04 0.00 -0.26 0.00 0.00 64.21 63.24 2uwq n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uwq n GLN 72 N -0.54 2.09 -0.30 4.33 0.00 -1.26 -4.90 117.38 116.80 2uwq n GLN 72 Ca 0.39 -3.65 0.29 0.00 0.00 0.00 0.00 57.00 54.04 2uwq n GLN 72 Cb 1.22 -1.72 0.66 0.00 0.00 0.00 0.00 30.24 30.40 2uwq n GLN 72 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2uwq h ARG 73 N 2.58 0.14 -1.10 2.61 0.11 -1.76 0.25 114.38 117.22 2uwq h ARG 73 Ca -0.01 -0.01 -0.64 0.00 0.10 0.00 0.00 59.98 59.42 2uwq h ARG 73 Cb 1.29 -0.03 -0.27 0.00 1.11 0.00 0.00 29.97 32.07 2uwq h ARG 73 CO 0.37 0.09 0.83 0.09 0.10 0.00 0.00 179.97 181.45 2uwq n ASN 74 N -4.36 7.56 0.00 0.08 5.03 -1.26 -4.08 115.26 118.22 2uwq n ASN 74 Ca 0.24 -3.70 0.00 0.00 0.87 0.00 0.00 54.58 51.99 2uwq n ASN 74 Cb 1.06 -0.99 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2uwq n GLU 75 N -0.74 0.40 -3.88 3.52 2.13 0.87 -5.10 120.64 117.83 2uwq n GLU 75 Ca 0.59 -0.54 -0.21 0.00 0.66 0.00 0.00 57.16 57.66 2uwq n GLU 75 Cb 0.64 -0.61 -0.03 0.00 0.27 0.00 0.00 31.44 31.71 2uwq n GLU 75 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2uwq s VAL 76 N -0.15 4.26 -0.02 6.31 0.11 -1.25 -4.32 120.40 125.33 2uwq s VAL 76 Ca 0.00 -1.24 0.07 0.00 -2.93 0.00 0.00 61.98 57.88 2uwq s VAL 76 Cb 0.00 -3.42 -0.02 0.00 -1.53 0.00 0.00 36.38 31.41 2uwq s VAL 76 CO 0.00 -0.26 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.14 2uwq s ARG 77 N -3.97 2.00 -0.12 1.54 0.52 -0.15 -4.84 118.95 113.92 2uwq s ARG 77 Ca 0.38 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.70 2uwq s ARG 77 Cb -0.08 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 2uwq s ARG 77 CO 0.27 0.49 -0.00 -0.06 0.02 0.00 0.00 175.30 176.02 2uwq s PHE 78 N -0.49 3.12 -0.02 -0.53 2.99 -0.38 -1.94 117.98 120.74 2uwq s PHE 78 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 56.93 56.99 2uwq s PHE 78 Cb -0.10 -1.88 0.00 0.00 0.00 0.00 0.00 43.02 41.04 2uwq s PHE 78 CO -0.00 0.26 0.07 -0.06 -0.00 0.00 0.00 175.22 175.49 2uwq s PHE 79 N -0.29 -0.03 -0.22 0.36 0.08 -0.77 0.11 117.98 117.23 2uwq s PHE 79 Ca 0.06 0.07 -0.17 0.00 0.12 0.00 0.00 56.93 57.01 2uwq s PHE 79 Cb -0.12 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 2uwq s PHE 79 CO 0.02 -0.09 0.48 -1.17 -0.10 0.00 0.00 175.22 174.36 2uwq s LEU 80 N -0.33 4.12 -0.12 -0.37 1.98 -0.83 -0.10 118.68 123.04 2uwq s LEU 80 Ca -0.04 0.58 -0.03 0.00 -2.89 0.00 0.00 54.13 51.76 2uwq s LEU 80 Cb -0.03 -2.63 -0.03 0.00 0.66 0.00 0.00 46.19 44.16 2uwq s LEU 80 CO 0.00 -0.17 -0.01 -0.13 -1.89 0.00 0.00 176.35 174.15 2uwq s ARG 81 N 1.70 3.29 -0.38 1.98 1.81 -0.69 -4.71 118.95 121.96 2uwq s ARG 81 Ca 0.22 -0.45 -0.01 0.00 -1.72 0.00 0.00 55.73 53.77 2uwq s ARG 81 Cb -0.15 -2.86 0.11 0.00 -0.45 0.00 0.00 34.95 31.59 2uwq s ARG 81 CO 0.09 0.51 0.15 -1.01 -0.68 0.00 0.00 175.30 174.36 2uwq s HIS 82 N -0.34 3.64 -2.61 -0.53 3.76 -1.26 -3.19 115.29 114.75 2uwq s HIS 82 Ca 0.07 -2.60 0.27 0.00 -0.15 0.00 0.00 55.06 52.65 2uwq s HIS 82 Cb -0.12 -3.10 0.86 0.00 1.11 0.00 0.00 32.58 31.33 2uwq s HIS 82 CO 0.02 -0.96 1.64 0.39 -0.85 0.00 0.00 174.74 174.98